data_7033 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GSPT1/eRF3a(PAM2-2)-PABC complex ; _BMRB_accession_number 7033 _BMRB_flat_file_name bmr7033.str _Entry_type new _Submission_date 2006-03-27 _Accession_date 2006-03-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osawa Masanori . . 2 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 249 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H Assigned Chemical Shifts for eRF3a, and 1H, 13C, and 15N Assigned Chemical Shifts for PABC' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osawa Masanori . . 2 Shimada Ichio . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GSPT1/eRF3a(PAM2-2) - PABC complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAM2-2 $GSPT1/eRF3a PABC $polyA-binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GSPT1/eRF3a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PAM2-2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; AKPFVPNVHAAEFVPSFLRG PA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 73 ALA 2 74 LYS 3 75 PRO 4 76 PHE 5 77 VAL 6 78 PRO 7 79 ASN 8 80 VAL 9 81 HIS 10 82 ALA 11 83 ALA 12 84 GLU 13 85 PHE 14 86 VAL 15 87 PRO 16 88 SER 17 89 PHE 18 90 LEU 19 91 ARG 20 92 GLY 21 93 PRO 22 94 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2RQH "Structure Of Gspt1ERF3A-Pabc" 100.00 22 100.00 100.00 2.93e-05 PDB 3KUJ "Crystal Structure Of C-Terminal Domain Of Pabpc1 In Complex With Binding Region Of Erf3a" 68.18 15 100.00 100.00 3.22e+00 DBJ BAA91612 "unnamed protein product [Homo sapiens]" 95.45 628 100.00 100.00 9.63e-05 DBJ BAA92160 "eukaryotic polypeptide chain release factor 3 [Oryctolagus cuniculus]" 100.00 588 100.00 100.00 7.42e-05 DBJ BAE22025 "unnamed protein product [Mus musculus]" 100.00 226 100.00 100.00 3.02e-05 DBJ BAJ20641 "G1 to S phase transition 1 [synthetic construct]" 86.36 634 100.00 100.00 3.34e-03 EMBL CAB91089 "polypeptide chain release factor 3b [Homo sapiens]" 95.45 628 100.00 100.00 9.63e-05 EMBL CAG31442 "hypothetical protein RCJMB04_6h9 [Gallus gallus]" 86.36 162 100.00 100.00 8.36e-04 GB AAH09503 "GSPT1 protein [Homo sapiens]" 86.36 633 100.00 100.00 3.34e-03 GB AAH31640 "G1 to S phase transition 1 [Mus musculus]" 100.00 587 100.00 100.00 3.06e-05 GB AAH36077 "G1 to S phase transition 2 [Homo sapiens]" 95.45 628 100.00 100.00 5.84e-05 GB AAH79092 "G1 to S phase transition 1 [Rattus norvegicus]" 100.00 636 100.00 100.00 3.21e-05 GB AAI34652 "GSPT1 protein [Bos taurus]" 100.00 637 100.00 100.00 7.26e-05 REF NP_001003978 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Rattus norvegicus]" 100.00 636 100.00 100.00 3.21e-05 REF NP_001091540 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Bos taurus]" 100.00 636 100.00 100.00 4.36e-05 REF NP_001123478 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A isoform 2 [Homo sapiens]" 100.00 636 100.00 100.00 5.18e-05 REF NP_001123480 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A isoform 2 [Mus musculus]" 100.00 635 100.00 100.00 3.17e-05 REF NP_001129149 "eukaryotic peptide chain release factor GTP-binding subunit ERF3A [Gallus gallus]" 86.36 618 100.00 100.00 3.75e-03 SP Q8IYD1 "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3B; Short=Eukaryotic peptide chain release factor " 95.45 628 100.00 100.00 9.63e-05 SP Q8R050 "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit ERF3A; Short=Eukaryotic peptide chain release factor " 100.00 636 100.00 100.00 3.18e-05 TPG DAA15601 "TPA: G1 to S phase transition 1 [Bos taurus]" 100.00 605 100.00 100.00 7.10e-05 stop_ save_ save_polyA-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PABC domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 83 _Mol_residue_sequence ; GQEPLTASMLASAPPQEQKQ MLGERLFPLIQAMHPTLAGK ITGMLLEIDNSELLHMLESP ESLRSKVDEAVAVLQAHQAK EAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 541 GLY 2 542 GLN 3 543 GLU 4 544 PRO 5 545 LEU 6 546 THR 7 547 ALA 8 548 SER 9 549 MET 10 550 LEU 11 551 ALA 12 552 SER 13 553 ALA 14 554 PRO 15 555 PRO 16 556 GLN 17 557 GLU 18 558 GLN 19 559 LYS 20 560 GLN 21 561 MET 22 562 LEU 23 563 GLY 24 564 GLU 25 565 ARG 26 566 LEU 27 567 PHE 28 568 PRO 29 569 LEU 30 570 ILE 31 571 GLN 32 572 ALA 33 573 MET 34 574 HIS 35 575 PRO 36 576 THR 37 577 LEU 38 578 ALA 39 579 GLY 40 580 LYS 41 581 ILE 42 582 THR 43 583 GLY 44 584 MET 45 585 LEU 46 586 LEU 47 587 GLU 48 588 ILE 49 589 ASP 50 590 ASN 51 591 SER 52 592 GLU 53 593 LEU 54 594 LEU 55 595 HIS 56 596 MET 57 597 LEU 58 598 GLU 59 599 SER 60 600 PRO 61 601 GLU 62 602 SER 63 603 LEU 64 604 ARG 65 605 SER 66 606 LYS 67 607 VAL 68 608 ASP 69 609 GLU 70 610 ALA 71 611 VAL 72 612 ALA 73 613 VAL 74 614 LEU 75 615 GLN 76 616 ALA 77 617 HIS 78 618 GLN 79 619 ALA 80 620 LYS 81 621 GLU 82 622 ALA 83 623 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10019 polyA-binding_protein 100.00 83 100.00 100.00 1.08e-49 BMRB 4915 PABC 100.00 144 100.00 100.00 1.43e-49 PDB 1G9L "Solution Structure Of The Pabc Domain Of Human Poly(A) Binding Protein" 100.00 144 100.00 100.00 1.43e-49 PDB 1JGN "Solution Structure Of The C-Terminal Pabc Domain Of Human Poly(A)-Binding Protein In Complex With The Peptide From Paip2" 96.39 98 100.00 100.00 1.99e-47 PDB 1JH4 "Solution Structure Of The C-Terminal Pabc Domain Of Human Poly(A)-Binding Protein In Complex With The Peptide From Paip1" 96.39 98 100.00 100.00 1.99e-47 PDB 2RQG "Structure Of Gspt1ERF3A-Pabc" 100.00 83 100.00 100.00 1.08e-49 PDB 2RQH "Structure Of Gspt1ERF3A-Pabc" 100.00 83 100.00 100.00 1.08e-49 PDB 2X04 "Crystal Structure Of The Pabc-Tnrc6c Complex" 90.36 80 100.00 100.00 1.35e-43 PDB 3KTP "Structural Basis Of Gw182 Recognition By Poly(a)-binding Protein" 96.39 88 100.00 100.00 2.93e-47 PDB 3KTR "Structural Basis Of Ataxin-2 Recognition By Poly(A)-Binding" 96.39 88 100.00 100.00 2.93e-47 PDB 3KUI "Crystal Structure Of C-Terminal Domain Of Pabpc1 In Complex Binding Region Of Erf3a" 96.39 88 100.00 100.00 2.93e-47 PDB 3KUJ "Crystal Structure Of C-Terminal Domain Of Pabpc1 In Complex With Binding Region Of Erf3a" 96.39 88 100.00 100.00 2.93e-47 PDB 3KUR "Crystal Structure Of The Mlle Domain Of Poly(A)-Binding Protein" 89.16 79 100.00 100.00 3.20e-43 PDB 3KUS "Crystal Structure Of The Mlle Domain Of Poly(A)-Binding Protein In Complex With The Binding Region Of Paip2" 96.39 88 100.00 100.00 2.93e-47 PDB 3KUT "Crystal Structure Of The Mlle Domain Of Poly(a)-binding Protein In Complex With The Binding Region Of Paip2" 96.39 88 100.00 100.00 2.93e-47 PDB 3PKN "Crystal Structure Of Mlle Domain Of Poly(A) Binding Protein In Complex With Pam2 Motif Of La-Related Protein 4 (Larp4)" 96.39 88 100.00 100.00 2.93e-47 PDB 3PTH "The Pabc1 Mlle Domain Bound To The Variant Pam2 Motif Of Larp4b" 95.18 82 100.00 100.00 7.50e-47 DBJ BAC32110 "unnamed protein product [Mus musculus]" 100.00 636 98.80 100.00 1.21e-45 DBJ BAC40951 "unnamed protein product [Mus musculus]" 100.00 636 98.80 100.00 1.11e-45 DBJ BAC56450 "similar to poly(A)-binding protein 1 [Bos taurus]" 100.00 138 98.80 98.80 6.94e-49 DBJ BAE21553 "unnamed protein product [Mus musculus]" 100.00 636 98.80 100.00 1.21e-45 DBJ BAE30919 "unnamed protein product [Mus musculus]" 100.00 636 98.80 100.00 1.22e-45 EMBL CAA40721 "polyA binding protein [Xenopus laevis]" 100.00 633 98.80 100.00 9.36e-46 EMBL CAA46522 "poly(A) binding protein [Mus musculus]" 100.00 636 98.80 100.00 1.19e-45 EMBL CAA68428 "unnamed protein product [Homo sapiens]" 100.00 633 100.00 100.00 3.73e-46 EMBL CAA88401 "polyadenylate binding protein II [Homo sapiens]" 100.00 522 100.00 100.00 7.91e-47 EMBL CAB96752 "polyadenylate-binding protein 1 [Bos taurus]" 100.00 636 100.00 100.00 3.63e-46 GB AAA60936 "poly(A)-binding protein [Xenopus laevis]" 100.00 633 97.59 98.80 1.02e-44 GB AAD08718 "poly(A)-binding protein [Homo sapiens]" 100.00 636 100.00 100.00 3.63e-46 GB AAH03870 "Poly(A) binding protein, cytoplasmic 1 [Mus musculus]" 100.00 636 98.80 100.00 1.21e-45 GB AAH04587 "Pabpc1 protein, partial [Mus musculus]" 100.00 527 97.59 98.80 4.04e-45 GB AAH11207 "Poly(A) binding protein, cytoplasmic 1 [Mus musculus]" 100.00 636 98.80 100.00 1.21e-45 REF NP_001005051 "poly(A) binding protein, cytoplasmic 1 [Xenopus (Silurana) tropicalis]" 100.00 634 98.80 100.00 8.94e-46 REF NP_001026768 "polyadenylate-binding protein 1 [Gallus gallus]" 100.00 637 98.80 100.00 8.53e-46 REF NP_001080204 "polyadenylate-binding protein 1-A [Xenopus laevis]" 100.00 633 97.59 98.80 1.02e-44 REF NP_001085069 "polyadenylate-binding protein 1-B [Xenopus laevis]" 100.00 633 98.80 100.00 9.55e-46 REF NP_001126097 "polyadenylate-binding protein 1 [Pongo abelii]" 100.00 636 100.00 100.00 3.60e-46 SP P11940 "RecName: Full=Polyadenylate-binding protein 1; Short=PABP-1; Short=Poly(A)-binding protein 1 [Homo sapiens]" 100.00 636 100.00 100.00 3.63e-46 SP P20965 "RecName: Full=Polyadenylate-binding protein 1-A; Short=PABP-1-A; Short=Poly(A)-binding protein 1-A; Short=xPABP1-A; AltName: Fu" 100.00 633 98.80 100.00 9.83e-46 SP P29341 "RecName: Full=Polyadenylate-binding protein 1; Short=PABP-1; Short=Poly(A)-binding protein 1 [Mus musculus]" 100.00 636 98.80 100.00 1.21e-45 SP P61286 "RecName: Full=Polyadenylate-binding protein 1; Short=PABP-1; Short=Poly(A)-binding protein 1 [Bos taurus]" 100.00 636 100.00 100.00 3.63e-46 SP Q5R8F7 "RecName: Full=Polyadenylate-binding protein 1; Short=PABP-1; Short=Poly(A)-binding protein 1 [Pongo abelii]" 100.00 636 100.00 100.00 3.74e-46 TPG DAA12894 "TPA: polyadenylate-binding protein 1-like [Bos taurus]" 100.00 269 98.80 98.80 1.18e-46 TPG DAA22579 "TPA: polyadenylate-binding protein 1 [Bos taurus]" 100.00 636 100.00 100.00 3.63e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GSPT1/eRF3a Mouse . Eukaryota Metazoa Mus musculas $polyA-binding_protein Human . Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GSPT1/eRF3a 'chemical synthesis' . . . . . $polyA-binding_protein 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GSPT1/eRF3a 1 mM unlabeled $polyA-binding_protein 1 mM '[U-13C; U-15N]' NaCl 150 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _Sample_label $sample_1 save_ save_13C-1H_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label $sample_1 save_ save_HBHA(CBCACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_15N-edited_TOCSY_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY HSQC' _Sample_label $sample_1 save_ save_15N-edited_NOESY_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY HSQC' _Sample_label $sample_1 save_ save_13C,15N-filterd_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd NOESY' _Sample_label $sample_1 save_ save_13C,15N-filterd_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd TOCSY' _Sample_label $sample_1 save_ save_15N-1H_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-1H_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CBCACO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-edited_TOCSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-edited_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C,15N-filterd_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C,15N-filterd_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '13C,15N-filterd TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 303 0.01 K 'ionic strength' 0.15 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PAM2-2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 73 1 ALA HA H 4.049 0.020 1 2 73 1 ALA HB H 1.463 0.020 1 3 74 2 LYS H H 7.750 0.020 1 4 74 2 LYS HA H 4.197 0.020 1 5 74 2 LYS HB2 H 1.779 0.020 2 6 74 2 LYS HB3 H 1.830 0.020 2 7 74 2 LYS HG2 H 1.420 0.020 2 8 74 2 LYS HG3 H 1.479 0.020 2 9 75 3 PRO HA H 4.401 0.020 1 10 75 3 PRO HB2 H 1.789 0.020 2 11 75 3 PRO HB3 H 2.284 0.020 2 12 75 3 PRO HG2 H 1.989 0.020 1 13 75 3 PRO HG3 H 1.989 0.020 1 14 76 4 PHE H H 8.638 0.020 1 15 76 4 PHE HA H 4.799 0.020 1 16 76 4 PHE HB2 H 2.969 0.020 2 17 76 4 PHE HB3 H 3.171 0.020 2 18 76 4 PHE HD1 H 7.295 0.020 1 19 76 4 PHE HD2 H 7.295 0.020 1 20 76 4 PHE HE1 H 6.927 0.020 1 21 76 4 PHE HE2 H 6.927 0.020 1 22 77 5 VAL H H 8.329 0.020 1 23 77 5 VAL HA H 4.122 0.020 1 24 77 5 VAL HB H 1.874 0.020 1 25 77 5 VAL HG1 H 0.784 0.020 2 26 77 5 VAL HG2 H 0.736 0.020 2 27 78 6 PRO HA H 3.841 0.020 1 28 78 6 PRO HB2 H 1.943 0.020 2 29 78 6 PRO HB3 H 1.778 0.020 2 30 78 6 PRO HG2 H 1.519 0.020 1 31 78 6 PRO HG3 H 1.519 0.020 1 32 78 6 PRO HD2 H 3.182 0.020 2 33 78 6 PRO HD3 H 3.325 0.020 2 34 79 7 ASN H H 8.885 0.020 1 35 79 7 ASN HA H 4.723 0.020 1 36 79 7 ASN HB2 H 2.851 0.020 2 37 79 7 ASN HB3 H 3.194 0.020 2 38 79 7 ASN HD21 H 8.570 0.020 2 39 79 7 ASN HD22 H 6.950 0.020 2 40 80 8 VAL H H 8.435 0.020 1 41 80 8 VAL HA H 3.697 0.020 1 42 80 8 VAL HB H 1.650 0.020 1 43 80 8 VAL HG1 H 0.436 0.020 2 44 80 8 VAL HG2 H -0.037 0.020 2 45 81 9 HIS H H 7.704 0.020 1 46 81 9 HIS HA H 4.596 0.020 1 47 81 9 HIS HB2 H 2.972 0.020 2 48 81 9 HIS HB3 H 3.293 0.020 2 49 81 9 HIS HD2 H 7.023 0.020 1 50 81 9 HIS HE1 H 7.858 0.020 1 51 82 10 ALA H H 7.916 0.020 1 52 82 10 ALA HA H 4.009 0.020 1 53 82 10 ALA HB H 1.284 0.020 1 54 83 11 ALA H H 8.476 0.020 1 55 83 11 ALA HA H 4.101 0.020 1 56 83 11 ALA HB H 1.324 0.020 1 57 84 12 GLU H H 8.463 0.020 1 58 84 12 GLU HA H 3.895 0.020 1 59 84 12 GLU HB2 H 1.728 0.020 2 60 84 12 GLU HB3 H 1.785 0.020 2 61 84 12 GLU HG2 H 2.007 0.020 2 62 84 12 GLU HG3 H 2.065 0.020 2 63 85 13 PHE H H 8.032 0.020 1 64 85 13 PHE HA H 4.393 0.020 1 65 85 13 PHE HB2 H 2.839 0.020 2 66 85 13 PHE HB3 H 2.896 0.020 2 67 85 13 PHE HD1 H 6.974 0.020 1 68 85 13 PHE HD2 H 6.974 0.020 1 69 85 13 PHE HE1 H 6.945 0.020 1 70 85 13 PHE HE2 H 6.945 0.020 1 71 85 13 PHE HZ H 7.134 0.020 1 72 86 14 VAL H H 7.531 0.020 1 73 86 14 VAL HA H 3.961 0.020 1 74 86 14 VAL HB H 1.525 0.020 1 75 86 14 VAL HG1 H 0.632 0.020 2 76 86 14 VAL HG2 H 0.598 0.020 2 77 87 15 PRO HA H 4.093 0.020 1 78 87 15 PRO HB2 H 1.977 0.020 2 79 87 15 PRO HB3 H 2.322 0.020 2 80 87 15 PRO HG3 H 2.041 0.020 2 81 87 15 PRO HD2 H 3.305 0.020 2 82 87 15 PRO HD3 H 3.389 0.020 2 83 88 16 SER H H 7.834 0.020 1 84 88 16 SER HA H 4.599 0.020 1 85 88 16 SER HB2 H 3.828 0.020 2 86 88 16 SER HB3 H 3.735 0.020 2 87 89 17 PHE H H 7.841 0.020 1 88 89 17 PHE HA H 4.545 0.020 1 89 89 17 PHE HB2 H 3.014 0.020 2 90 89 17 PHE HB3 H 3.223 0.020 2 91 89 17 PHE HD1 H 7.220 0.020 1 92 89 17 PHE HD2 H 7.220 0.020 1 93 89 17 PHE HE1 H 7.351 0.020 1 94 89 17 PHE HE2 H 7.351 0.020 1 95 90 18 LEU H H 7.480 0.020 1 96 90 18 LEU HA H 4.294 0.020 1 97 90 18 LEU HB2 H 1.219 0.020 2 98 90 18 LEU HB3 H 1.423 0.020 2 99 90 18 LEU HG H 0.973 0.020 1 100 90 18 LEU HD1 H 0.781 0.020 2 101 90 18 LEU HD2 H 0.742 0.020 2 102 91 19 ARG H H 7.665 0.020 1 103 91 19 ARG HA H 4.159 0.020 1 104 91 19 ARG HB2 H 1.698 0.020 2 105 91 19 ARG HB3 H 1.802 0.020 2 106 91 19 ARG HG2 H 1.482 0.020 2 107 91 19 ARG HG3 H 1.564 0.020 2 108 91 19 ARG HD2 H 3.075 0.020 1 109 91 19 ARG HD3 H 3.075 0.020 1 110 92 20 GLY H H 8.066 0.020 1 111 92 20 GLY HA2 H 3.957 0.020 2 112 92 20 GLY HA3 H 4.117 0.020 2 113 93 21 PRO HA H 3.577 0.020 1 114 93 21 PRO HB2 H 1.972 0.020 2 115 93 21 PRO HB3 H 2.219 0.020 2 116 93 21 PRO HD2 H 3.183 0.020 2 117 93 21 PRO HD3 H 3.326 0.020 2 118 94 22 ALA H H 8.125 0.020 1 119 94 22 ALA HA H 4.111 0.020 1 120 94 22 ALA HB H 1.319 0.020 1 stop_ save_ save_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PABC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 541 1 GLY H H 8.410 0.020 1 2 541 1 GLY HA2 H 3.926 0.020 1 3 541 1 GLY HA3 H 3.926 0.020 1 4 541 1 GLY CA C 43.004 0.400 1 5 541 1 GLY N N 110.001 0.400 1 6 542 2 GLN H H 8.125 0.020 1 7 542 2 GLN HA H 4.339 0.020 1 8 542 2 GLN HB2 H 1.897 0.020 2 9 542 2 GLN HB3 H 2.061 0.020 2 10 542 2 GLN HG2 H 2.283 0.020 1 11 542 2 GLN HG3 H 2.283 0.020 1 12 542 2 GLN CA C 52.920 0.400 1 13 542 2 GLN CB C 27.439 0.400 1 14 542 2 GLN CG C 31.409 0.400 1 15 542 2 GLN N N 119.336 0.400 1 16 543 3 GLU H H 8.573 0.020 1 17 543 3 GLU HA H 4.519 0.020 1 18 543 3 GLU HB2 H 1.879 0.020 2 19 543 3 GLU HB3 H 2.020 0.020 2 20 543 3 GLU HG2 H 2.265 0.020 1 21 543 3 GLU HG3 H 2.265 0.020 1 22 543 3 GLU CA C 52.097 0.400 1 23 543 3 GLU CB C 26.822 0.400 1 24 543 3 GLU N N 124.370 0.400 1 25 544 4 PRO HA H 4.338 0.020 1 26 544 4 PRO HB2 H 1.757 0.020 2 27 544 4 PRO HB3 H 2.268 0.020 2 28 544 4 PRO HG2 H 1.988 0.020 2 29 544 4 PRO HG3 H 2.000 0.020 2 30 544 4 PRO HD2 H 3.663 0.020 2 31 544 4 PRO HD3 H 3.820 0.020 2 32 544 4 PRO CA C 60.623 0.400 1 33 544 4 PRO CB C 29.590 0.400 1 34 544 4 PRO CG C 24.988 0.400 1 35 544 4 PRO CD C 48.171 0.400 1 36 545 5 LEU H H 8.371 0.020 1 37 545 5 LEU HA H 4.541 0.020 1 38 545 5 LEU HB2 H 1.328 0.020 2 39 545 5 LEU HB3 H 1.491 0.020 2 40 545 5 LEU HG H 1.484 0.020 1 41 545 5 LEU HD1 H 0.864 0.020 2 42 545 5 LEU HD2 H 0.759 0.020 2 43 545 5 LEU CA C 52.180 0.400 1 44 545 5 LEU CB C 40.591 0.400 1 45 545 5 LEU CG C 24.427 0.400 1 46 545 5 LEU CD1 C 22.472 0.400 1 47 545 5 LEU CD2 C 23.253 0.400 1 48 545 5 LEU N N 122.696 0.400 1 49 546 6 THR H H 7.280 0.020 1 50 546 6 THR HA H 4.633 0.020 1 51 546 6 THR HB H 4.592 0.020 1 52 546 6 THR HG2 H 1.176 0.020 1 53 546 6 THR CA C 56.775 0.400 1 54 546 6 THR CB C 69.518 0.400 1 55 546 6 THR CG2 C 19.065 0.400 1 56 546 6 THR N N 113.368 0.400 1 57 547 7 ALA H H 9.045 0.020 1 58 547 7 ALA HA H 3.931 0.020 1 59 547 7 ALA HB H 1.417 0.020 1 60 547 7 ALA CA C 52.881 0.400 1 61 547 7 ALA CB C 15.331 0.400 1 62 547 7 ALA N N 123.404 0.400 1 63 548 8 SER H H 8.338 0.020 1 64 548 8 SER HA H 4.165 0.020 1 65 548 8 SER HB2 H 3.822 0.020 1 66 548 8 SER HB3 H 3.822 0.020 1 67 548 8 SER CA C 58.731 0.400 1 68 548 8 SER CB C 59.803 0.400 1 69 548 8 SER N N 113.026 0.400 1 70 549 9 MET H H 7.578 0.020 1 71 549 9 MET HA H 4.071 0.020 1 72 549 9 MET HB2 H 2.119 0.020 1 73 549 9 MET HB3 H 2.119 0.020 1 74 549 9 MET HG2 H 2.512 0.020 2 75 549 9 MET HG3 H 2.545 0.020 2 76 549 9 MET HE H 2.093 0.020 1 77 549 9 MET CA C 56.349 0.400 1 78 549 9 MET CB C 31.538 0.400 1 79 549 9 MET CG C 29.224 0.400 1 80 549 9 MET CE C 14.596 0.400 1 81 549 9 MET N N 122.284 0.400 1 82 550 10 LEU H H 7.695 0.020 1 83 550 10 LEU HA H 4.005 0.020 1 84 550 10 LEU HB2 H 1.658 0.020 1 85 550 10 LEU HB3 H 1.658 0.020 1 86 550 10 LEU HG H 1.614 0.020 1 87 550 10 LEU HD1 H 0.907 0.020 2 88 550 10 LEU HD2 H 0.887 0.020 2 89 550 10 LEU CA C 55.086 0.400 1 90 550 10 LEU CB C 40.109 0.400 1 91 550 10 LEU CD1 C 23.367 0.400 1 92 550 10 LEU CD2 C 22.642 0.400 1 93 550 10 LEU N N 118.618 0.400 1 94 551 11 ALA H H 7.707 0.020 1 95 551 11 ALA HA H 4.035 0.020 1 96 551 11 ALA HB H 1.437 0.020 1 97 551 11 ALA CA C 51.913 0.400 1 98 551 11 ALA CB C 16.198 0.400 1 99 551 11 ALA N N 116.904 0.400 1 100 552 12 SER H H 7.354 0.020 1 101 552 12 SER HA H 4.375 0.020 1 102 552 12 SER HB2 H 3.931 0.020 2 103 552 12 SER HB3 H 3.960 0.020 2 104 552 12 SER CA C 56.445 0.400 1 105 552 12 SER CB C 61.675 0.400 1 106 552 12 SER N N 110.402 0.400 1 107 553 13 ALA H H 7.601 0.020 1 108 553 13 ALA HA H 4.848 0.020 1 109 553 13 ALA HB H 1.386 0.020 1 110 553 13 ALA CA C 47.099 0.400 1 111 553 13 ALA CB C 16.851 0.400 1 112 553 13 ALA N N 126.744 0.400 1 113 554 14 PRO HA H 4.771 0.020 1 114 554 14 PRO HB2 H 1.994 0.020 2 115 554 14 PRO HB3 H 2.499 0.020 2 116 554 14 PRO HG2 H 2.062 0.020 2 117 554 14 PRO HG3 H 2.101 0.020 2 118 554 14 PRO HD2 H 3.669 0.020 2 119 554 14 PRO HD3 H 3.908 0.020 2 120 554 14 PRO CA C 58.979 0.400 1 121 555 15 PRO HA H 4.125 0.020 1 122 555 15 PRO HB2 H 2.024 0.020 2 123 555 15 PRO HB3 H 2.403 0.020 2 124 555 15 PRO HG2 H 2.040 0.020 2 125 555 15 PRO HG3 H 2.216 0.020 2 126 555 15 PRO HD2 H 3.809 0.020 2 127 555 15 PRO HD3 H 3.909 0.020 2 128 555 15 PRO CA C 63.936 0.400 1 129 555 15 PRO CB C 29.726 0.400 1 130 555 15 PRO CG C 25.259 0.400 1 131 555 15 PRO CD C 47.890 0.400 1 132 556 16 GLN H H 9.186 0.020 1 133 556 16 GLN HA H 4.184 0.020 1 134 556 16 GLN HB2 H 2.119 0.020 1 135 556 16 GLN HB3 H 2.119 0.020 1 136 556 16 GLN HG2 H 2.357 0.020 2 137 556 16 GLN HG3 H 2.490 0.020 2 138 556 16 GLN HE21 H 7.461 0.020 2 139 556 16 GLN HE22 H 6.633 0.020 2 140 556 16 GLN CA C 56.428 0.400 1 141 556 16 GLN CB C 25.164 0.400 1 142 556 16 GLN CG C 31.514 0.400 1 143 556 16 GLN N N 116.360 0.400 1 144 556 16 GLN NE2 N 110.672 0.400 1 145 557 17 GLU H H 7.554 0.020 1 146 557 17 GLU HA H 4.286 0.020 1 147 557 17 GLU HB2 H 2.028 0.020 2 148 557 17 GLU HB3 H 2.155 0.020 2 149 557 17 GLU HG2 H 2.310 0.020 2 150 557 17 GLU HG3 H 2.540 0.020 2 151 557 17 GLU CA C 55.850 0.400 1 152 557 17 GLU CB C 27.494 0.400 1 153 557 17 GLU CG C 33.972 0.400 1 154 557 17 GLU N N 120.277 0.400 1 155 558 18 GLN H H 7.989 0.020 1 156 558 18 GLN HA H 3.916 0.020 1 157 558 18 GLN HB2 H 1.868 0.020 2 158 558 18 GLN HB3 H 2.308 0.020 2 159 558 18 GLN HG2 H 2.582 0.020 1 160 558 18 GLN HG3 H 2.582 0.020 1 161 558 18 GLN HE21 H 7.535 0.020 2 162 558 18 GLN HE22 H 6.643 0.020 2 163 558 18 GLN CA C 57.504 0.400 1 164 558 18 GLN CB C 25.999 0.400 1 165 558 18 GLN CG C 31.679 0.400 1 166 558 18 GLN N N 119.133 0.400 1 167 558 18 GLN NE2 N 111.606 0.400 1 168 559 19 LYS H H 7.474 0.020 1 169 559 19 LYS HA H 3.992 0.020 1 170 559 19 LYS HB2 H 1.831 0.020 2 171 559 19 LYS HB3 H 2.150 0.020 2 172 559 19 LYS CA C 55.453 0.400 1 173 559 19 LYS CB C 29.559 0.400 1 174 559 19 LYS N N 113.428 0.400 1 175 560 20 GLN H H 7.581 0.020 1 176 560 20 GLN HA H 4.060 0.020 1 177 560 20 GLN HB2 H 2.294 0.020 2 178 560 20 GLN HB3 H 2.329 0.020 2 179 560 20 GLN HG2 H 2.530 0.020 1 180 560 20 GLN HG3 H 2.530 0.020 1 181 560 20 GLN CA C 57.057 0.400 1 182 560 20 GLN CB C 25.447 0.400 1 183 560 20 GLN CG C 30.937 0.400 1 184 560 20 GLN N N 118.870 0.400 1 185 561 21 MET H H 8.372 0.020 1 186 561 21 MET HA H 4.000 0.020 1 187 561 21 MET HB2 H 2.005 0.020 2 188 561 21 MET HB3 H 2.202 0.020 2 189 561 21 MET HG2 H 2.576 0.020 2 190 561 21 MET HG3 H 2.769 0.020 2 191 561 21 MET HE H 1.993 0.020 1 192 561 21 MET CA C 56.960 0.400 1 193 561 21 MET CB C 31.497 0.400 1 194 561 21 MET CG C 29.646 0.400 1 195 561 21 MET CE C 14.408 0.400 1 196 561 21 MET N N 117.705 0.400 1 197 562 22 LEU H H 7.760 0.020 1 198 562 22 LEU HA H 3.817 0.020 1 199 562 22 LEU HB2 H 0.995 0.020 2 200 562 22 LEU HB3 H 1.851 0.020 2 201 562 22 LEU HG H 1.631 0.020 1 202 562 22 LEU HD1 H 0.773 0.020 2 203 562 22 LEU HD2 H 0.686 0.020 2 204 562 22 LEU CA C 55.584 0.400 1 205 562 22 LEU CB C 40.010 0.400 1 206 562 22 LEU CD1 C 23.691 0.400 1 207 562 22 LEU CD2 C 21.419 0.400 1 208 562 22 LEU N N 118.885 0.400 1 209 563 23 GLY H H 8.903 0.020 1 210 563 23 GLY HA2 H 2.648 0.020 2 211 563 23 GLY HA3 H 2.928 0.020 2 212 563 23 GLY CA C 45.495 0.400 1 213 563 23 GLY N N 109.080 0.400 1 214 564 24 GLU H H 8.382 0.020 1 215 564 24 GLU HA H 4.163 0.020 1 216 564 24 GLU HB2 H 2.164 0.020 2 217 564 24 GLU HB3 H 2.233 0.020 2 218 564 24 GLU HG2 H 2.608 0.020 2 219 564 24 GLU HG3 H 2.736 0.020 2 220 564 24 GLU CA C 56.539 0.400 1 221 564 24 GLU CB C 27.074 0.400 1 222 564 24 GLU CG C 33.815 0.400 1 223 564 24 GLU N N 118.701 0.400 1 224 565 25 ARG H H 7.069 0.020 1 225 565 25 ARG HA H 4.339 0.020 1 226 565 25 ARG HB2 H 1.840 0.020 2 227 565 25 ARG HB3 H 2.012 0.020 2 228 565 25 ARG HG2 H 1.767 0.020 2 229 565 25 ARG HG3 H 1.852 0.020 2 230 565 25 ARG HD2 H 3.134 0.020 2 231 565 25 ARG HD3 H 3.210 0.020 2 232 565 25 ARG CA C 54.052 0.400 1 233 565 25 ARG CB C 28.335 0.400 1 234 565 25 ARG CG C 24.998 0.400 1 235 565 25 ARG CD C 40.073 0.400 1 236 565 25 ARG N N 115.063 0.400 1 237 566 26 LEU H H 8.337 0.020 1 238 566 26 LEU HA H 3.953 0.020 1 239 566 26 LEU HB2 H 1.319 0.020 2 240 566 26 LEU HB3 H 1.666 0.020 2 241 566 26 LEU HG H 1.645 0.020 1 242 566 26 LEU HD1 H 0.689 0.020 2 243 566 26 LEU HD2 H 0.727 0.020 2 244 566 26 LEU CA C 54.921 0.400 1 245 566 26 LEU CB C 41.797 0.400 1 246 566 26 LEU CD1 C 23.930 0.400 1 247 566 26 LEU CD2 C 21.917 0.400 1 248 566 26 LEU N N 119.554 0.400 1 249 567 27 PHE H H 8.612 0.020 1 250 567 27 PHE HA H 4.286 0.020 1 251 567 27 PHE HB2 H 3.194 0.020 1 252 567 27 PHE HB3 H 3.194 0.020 1 253 567 27 PHE HD1 H 6.989 0.020 1 254 567 27 PHE HD2 H 6.989 0.020 1 255 567 27 PHE HE1 H 7.248 0.020 1 256 567 27 PHE HE2 H 7.248 0.020 1 257 567 27 PHE HZ H 7.127 0.020 1 258 567 27 PHE CA C 61.260 0.400 1 259 567 27 PHE CB C 34.419 0.400 1 260 567 27 PHE N N 117.541 0.400 1 261 568 28 PRO HA H 4.305 0.020 1 262 568 28 PRO HB2 H 1.879 0.020 2 263 568 28 PRO HB3 H 2.434 0.020 2 264 568 28 PRO HG2 H 2.169 0.020 1 265 568 28 PRO HG3 H 2.169 0.020 1 266 568 28 PRO HD2 H 3.889 0.020 1 267 568 28 PRO HD3 H 3.889 0.020 1 268 568 28 PRO CA C 63.299 0.400 1 269 568 28 PRO CB C 28.491 0.400 1 270 568 28 PRO CG C 26.155 0.400 1 271 568 28 PRO CD C 47.998 0.400 1 272 569 29 LEU H H 6.806 0.020 1 273 569 29 LEU HA H 4.061 0.020 1 274 569 29 LEU HB2 H 1.337 0.020 2 275 569 29 LEU HB3 H 2.008 0.020 2 276 569 29 LEU HG H 1.859 0.020 1 277 569 29 LEU HD1 H 0.922 0.020 2 278 569 29 LEU HD2 H 0.849 0.020 2 279 569 29 LEU CA C 54.587 0.400 1 280 569 29 LEU CB C 39.058 0.400 1 281 569 29 LEU CD1 C 23.591 0.400 1 282 569 29 LEU CD2 C 19.468 0.400 1 283 569 29 LEU N N 116.505 0.400 1 284 570 30 ILE H H 7.822 0.020 1 285 570 30 ILE HA H 3.666 0.020 1 286 570 30 ILE HB H 1.667 0.020 1 287 570 30 ILE HG12 H 0.891 0.020 2 288 570 30 ILE HG13 H 1.715 0.020 2 289 570 30 ILE HG2 H 0.872 0.020 1 290 570 30 ILE HD1 H 0.763 0.020 1 291 570 30 ILE CA C 61.701 0.400 1 292 570 30 ILE CB C 34.895 0.400 1 293 570 30 ILE CG2 C 16.001 0.400 1 294 570 30 ILE CD1 C 11.952 0.400 1 295 570 30 ILE N N 119.786 0.400 1 296 571 31 GLN H H 8.978 0.020 1 297 571 31 GLN HA H 3.495 0.020 1 298 571 31 GLN HB2 H 1.229 0.020 2 299 571 31 GLN HB3 H 1.824 0.020 2 300 571 31 GLN HG2 H 2.106 0.020 1 301 571 31 GLN HG3 H 2.106 0.020 1 302 571 31 GLN CA C 56.214 0.400 1 303 571 31 GLN CB C 26.029 0.400 1 304 571 31 GLN CG C 31.524 0.400 1 305 571 31 GLN N N 123.064 0.400 1 306 572 32 ALA H H 6.748 0.020 1 307 572 32 ALA HA H 4.043 0.020 1 308 572 32 ALA HB H 1.390 0.020 1 309 572 32 ALA CA C 51.493 0.400 1 310 572 32 ALA CB C 15.989 0.400 1 311 572 32 ALA N N 115.817 0.400 1 312 573 33 MET H H 7.162 0.020 1 313 573 33 MET HA H 4.134 0.020 1 314 573 33 MET HB2 H 1.805 0.020 2 315 573 33 MET HB3 H 2.074 0.020 2 316 573 33 MET HG2 H 2.462 0.020 2 317 573 33 MET HG3 H 2.710 0.020 2 318 573 33 MET HE H 2.001 0.020 1 319 573 33 MET CA C 55.044 0.400 1 320 573 33 MET CB C 33.001 0.400 1 321 573 33 MET CE C 15.217 0.400 1 322 573 33 MET N N 114.757 0.400 1 323 574 34 HIS H H 8.045 0.020 1 324 574 34 HIS HA H 4.845 0.020 1 325 574 34 HIS HB2 H 2.453 0.020 2 326 574 34 HIS HB3 H 2.850 0.020 2 327 574 34 HIS HD2 H 8.181 0.020 1 328 574 34 HIS CA C 51.478 0.400 1 329 574 34 HIS CB C 30.230 0.400 1 330 574 34 HIS N N 115.882 0.400 1 331 575 35 PRO HA H 4.382 0.020 1 332 575 35 PRO HB2 H 2.033 0.020 2 333 575 35 PRO HB3 H 2.457 0.020 2 334 575 35 PRO HG2 H 2.083 0.020 1 335 575 35 PRO HG3 H 2.083 0.020 1 336 575 35 PRO HD2 H 3.317 0.020 2 337 575 35 PRO HD3 H 3.719 0.020 2 338 575 35 PRO CA C 63.546 0.400 1 339 575 35 PRO CB C 29.561 0.400 1 340 575 35 PRO CG C 24.871 0.400 1 341 575 35 PRO CD C 47.447 0.400 1 342 576 36 THR H H 8.237 0.020 1 343 576 36 THR HA H 4.441 0.020 1 344 576 36 THR HB H 4.377 0.020 1 345 576 36 THR HG2 H 1.288 0.020 1 346 576 36 THR CA C 61.267 0.400 1 347 576 36 THR CB C 66.612 0.400 1 348 576 36 THR CG2 C 19.709 0.400 1 349 576 36 THR N N 107.912 0.400 1 350 577 37 LEU H H 7.432 0.020 1 351 577 37 LEU HA H 4.810 0.020 1 352 577 37 LEU HB2 H 1.351 0.020 2 353 577 37 LEU HB3 H 1.613 0.020 2 354 577 37 LEU HG H 1.611 0.020 1 355 577 37 LEU HD1 H 0.741 0.020 2 356 577 37 LEU HD2 H 0.840 0.020 2 357 577 37 LEU CA C 51.629 0.400 1 358 577 37 LEU CB C 41.412 0.400 1 359 577 37 LEU CD1 C 22.782 0.400 1 360 577 37 LEU CD2 C 20.163 0.400 1 361 577 37 LEU N N 119.825 0.400 1 362 578 38 ALA H H 7.314 0.020 1 363 578 38 ALA HA H 3.770 0.020 1 364 578 38 ALA HB H 1.056 0.020 1 365 578 38 ALA CA C 53.983 0.400 1 366 578 38 ALA CB C 15.745 0.400 1 367 578 38 ALA N N 121.621 0.400 1 368 579 39 GLY H H 9.423 0.020 1 369 579 39 GLY HA2 H 4.362 0.020 1 370 579 39 GLY HA3 H 4.362 0.020 1 371 579 39 GLY CA C 46.115 0.400 1 372 579 39 GLY N N 110.672 0.400 1 373 580 40 LYS H H 8.436 0.020 1 374 580 40 LYS HA H 4.119 0.020 1 375 580 40 LYS HB2 H 1.941 0.020 2 376 580 40 LYS HB3 H 2.192 0.020 2 377 580 40 LYS HG2 H 1.775 0.020 1 378 580 40 LYS HG3 H 1.775 0.020 1 379 580 40 LYS HE2 H 2.867 0.020 1 380 580 40 LYS HE3 H 2.867 0.020 1 381 580 40 LYS CA C 56.114 0.400 1 382 580 40 LYS CB C 29.561 0.400 1 383 580 40 LYS CG C 25.554 0.400 1 384 580 40 LYS CD C 30.720 0.400 1 385 580 40 LYS CE C 40.305 0.400 1 386 580 40 LYS N N 127.054 0.400 1 387 581 41 ILE H H 8.787 0.020 1 388 581 41 ILE HA H 3.684 0.020 1 389 581 41 ILE HB H 1.675 0.020 1 390 581 41 ILE HG12 H 0.883 0.020 2 391 581 41 ILE HG13 H 1.565 0.020 2 392 581 41 ILE HG2 H 0.925 0.020 1 393 581 41 ILE HD1 H 0.543 0.020 1 394 581 41 ILE CA C 62.288 0.400 1 395 581 41 ILE CB C 35.675 0.400 1 396 581 41 ILE CG1 C 26.043 0.400 1 397 581 41 ILE CG2 C 16.644 0.400 1 398 581 41 ILE CD1 C 12.323 0.400 1 399 581 41 ILE N N 117.797 0.400 1 400 582 42 THR H H 8.514 0.020 1 401 582 42 THR HA H 3.545 0.020 1 402 582 42 THR HB H 4.450 0.020 1 403 582 42 THR HG2 H 0.903 0.020 1 404 582 42 THR CA C 66.645 0.400 1 405 582 42 THR CB C 65.602 0.400 1 406 582 42 THR CG2 C 19.470 0.400 1 407 582 42 THR N N 115.389 0.400 1 408 583 43 GLY H H 7.859 0.020 1 409 583 43 GLY HA2 H 3.783 0.020 2 410 583 43 GLY HA3 H 4.514 0.020 2 411 583 43 GLY CA C 45.084 0.400 1 412 583 43 GLY N N 106.214 0.400 1 413 584 44 MET H H 8.074 0.020 1 414 584 44 MET HA H 3.990 0.020 1 415 584 44 MET HB2 H 2.271 0.020 1 416 584 44 MET HB3 H 2.271 0.020 1 417 584 44 MET HG2 H 2.755 0.020 2 418 584 44 MET HG3 H 2.845 0.020 2 419 584 44 MET HE H 1.784 0.020 1 420 584 44 MET CA C 56.905 0.400 1 421 584 44 MET CB C 32.158 0.400 1 422 584 44 MET CE C 15.107 0.400 1 423 584 44 MET N N 118.946 0.400 1 424 585 45 LEU H H 8.355 0.020 1 425 585 45 LEU HA H 3.953 0.020 1 426 585 45 LEU HB2 H 1.267 0.020 2 427 585 45 LEU HB3 H 1.737 0.020 2 428 585 45 LEU HG H 1.772 0.020 1 429 585 45 LEU HD1 H 0.724 0.020 2 430 585 45 LEU HD2 H 0.607 0.020 2 431 585 45 LEU CA C 55.003 0.400 1 432 585 45 LEU CB C 38.165 0.400 1 433 585 45 LEU CG C 25.608 0.400 1 434 585 45 LEU CD1 C 23.193 0.400 1 435 585 45 LEU CD2 C 21.892 0.400 1 436 585 45 LEU N N 119.806 0.400 1 437 586 46 LEU H H 7.845 0.020 1 438 586 46 LEU HA H 4.064 0.020 1 439 586 46 LEU HB2 H 1.553 0.020 2 440 586 46 LEU HB3 H 1.911 0.020 2 441 586 46 LEU HG H 1.870 0.020 1 442 586 46 LEU HD1 H 0.673 0.020 2 443 586 46 LEU HD2 H 0.655 0.020 2 444 586 46 LEU CA C 54.110 0.400 1 445 586 46 LEU CB C 39.289 0.400 1 446 586 46 LEU CD1 C 26.526 0.400 1 447 586 46 LEU CD2 C 20.812 0.400 1 448 586 46 LEU N N 115.985 0.400 1 449 587 47 GLU H H 7.006 0.020 1 450 587 47 GLU HA H 4.205 0.020 1 451 587 47 GLU HB2 H 2.048 0.020 2 452 587 47 GLU HB3 H 2.277 0.020 2 453 587 47 GLU HG2 H 2.634 0.020 1 454 587 47 GLU HG3 H 2.634 0.020 1 455 587 47 GLU CA C 55.724 0.400 1 456 587 47 GLU CB C 27.779 0.400 1 457 587 47 GLU CG C 34.914 0.400 1 458 587 47 GLU N N 116.012 0.400 1 459 588 48 ILE H H 7.833 0.020 1 460 588 48 ILE HA H 3.701 0.020 1 461 588 48 ILE HB H 1.810 0.020 1 462 588 48 ILE HG2 H 0.990 0.020 1 463 588 48 ILE HD1 H 0.182 0.020 1 464 588 48 ILE CA C 59.910 0.400 1 465 588 48 ILE CB C 35.083 0.400 1 466 588 48 ILE CG2 C 14.757 0.400 1 467 588 48 ILE CD1 C 11.439 0.400 1 468 588 48 ILE N N 123.491 0.400 1 469 589 49 ASP H H 7.756 0.020 1 470 589 49 ASP HA H 4.252 0.020 1 471 589 49 ASP HB2 H 2.642 0.020 2 472 589 49 ASP HB3 H 2.680 0.020 2 473 589 49 ASP CA C 52.944 0.400 1 474 589 49 ASP CB C 40.551 0.400 1 475 589 49 ASP N N 120.796 0.400 1 476 590 50 ASN H H 8.633 0.020 1 477 590 50 ASN HA H 4.214 0.020 1 478 590 50 ASN HB2 H 2.495 0.020 2 479 590 50 ASN HB3 H 2.864 0.020 2 480 590 50 ASN HD21 H 7.242 0.020 2 481 590 50 ASN HD22 H 6.451 0.020 2 482 590 50 ASN CA C 53.774 0.400 1 483 590 50 ASN CB C 34.780 0.400 1 484 590 50 ASN N N 122.561 0.400 1 485 590 50 ASN ND2 N 108.102 0.400 1 486 591 51 SER H H 8.536 0.020 1 487 591 51 SER HA H 4.170 0.020 1 488 591 51 SER HB2 H 3.879 0.020 1 489 591 51 SER HB3 H 3.879 0.020 1 490 591 51 SER CA C 59.597 0.400 1 491 591 51 SER CB C 59.803 0.400 1 492 591 51 SER N N 114.101 0.400 1 493 592 52 GLU H H 7.270 0.020 1 494 592 52 GLU HA H 4.256 0.020 1 495 592 52 GLU HB2 H 2.020 0.020 1 496 592 52 GLU HB3 H 2.020 0.020 1 497 592 52 GLU HG2 H 2.237 0.020 1 498 592 52 GLU HG3 H 2.237 0.020 1 499 592 52 GLU CA C 56.003 0.400 1 500 592 52 GLU CB C 26.852 0.400 1 501 592 52 GLU CG C 33.813 0.400 1 502 592 52 GLU N N 123.717 0.400 1 503 593 53 LEU H H 7.909 0.020 1 504 593 53 LEU HA H 4.183 0.020 1 505 593 53 LEU HB2 H 1.071 0.020 2 506 593 53 LEU HB3 H 2.054 0.020 2 507 593 53 LEU HG H 1.500 0.020 1 508 593 53 LEU HD1 H 0.917 0.020 2 509 593 53 LEU HD2 H 0.769 0.020 2 510 593 53 LEU CA C 55.627 0.400 1 511 593 53 LEU CB C 40.744 0.400 1 512 593 53 LEU CD1 C 24.438 0.400 1 513 593 53 LEU CD2 C 19.972 0.400 1 514 593 53 LEU N N 121.352 0.400 1 515 594 54 LEU H H 8.163 0.020 1 516 594 54 LEU HA H 3.864 0.020 1 517 594 54 LEU HB2 H 1.526 0.020 2 518 594 54 LEU HB3 H 1.719 0.020 2 519 594 54 LEU HG H 1.753 0.020 1 520 594 54 LEU HD1 H 0.769 0.020 2 521 594 54 LEU HD2 H 0.714 0.020 2 522 594 54 LEU CA C 55.588 0.400 1 523 594 54 LEU CB C 39.217 0.400 1 524 594 54 LEU CD1 C 22.547 0.400 1 525 594 54 LEU CD2 C 21.640 0.400 1 526 594 54 LEU N N 117.569 0.400 1 527 595 55 HIS H H 7.285 0.020 1 528 595 55 HIS HA H 4.436 0.020 1 529 595 55 HIS HB2 H 3.235 0.020 2 530 595 55 HIS HB3 H 3.426 0.020 2 531 595 55 HIS HD1 H 7.021 0.020 1 532 595 55 HIS CA C 56.392 0.400 1 533 595 55 HIS CB C 26.232 0.400 1 534 595 55 HIS N N 117.282 0.400 1 535 596 56 MET H H 8.255 0.020 1 536 596 56 MET HA H 3.739 0.020 1 537 596 56 MET HB2 H 1.861 0.020 2 538 596 56 MET HB3 H 2.304 0.020 2 539 596 56 MET HG2 H 2.647 0.020 1 540 596 56 MET HG3 H 2.647 0.020 1 541 596 56 MET HE H 1.837 0.020 1 542 596 56 MET CA C 56.929 0.400 1 543 596 56 MET CB C 31.083 0.400 1 544 596 56 MET CE C 15.206 0.400 1 545 596 56 MET N N 119.505 0.400 1 546 597 57 LEU H H 7.512 0.020 1 547 597 57 LEU HA H 3.864 0.020 1 548 597 57 LEU HB2 H 1.470 0.020 2 549 597 57 LEU HB3 H 1.948 0.020 2 550 597 57 LEU HG H 1.766 0.020 1 551 597 57 LEU HD1 H 0.865 0.020 2 552 597 57 LEU HD2 H 0.719 0.020 2 553 597 57 LEU CA C 54.467 0.400 1 554 597 57 LEU CB C 39.220 0.400 1 555 597 57 LEU CG C 24.625 0.400 1 556 597 57 LEU CD1 C 23.646 0.400 1 557 597 57 LEU CD2 C 21.266 0.400 1 558 597 57 LEU N N 115.834 0.400 1 559 598 58 GLU H H 7.201 0.020 1 560 598 58 GLU HA H 4.423 0.020 1 561 598 58 GLU HB2 H 2.121 0.020 2 562 598 58 GLU HB3 H 2.031 0.020 2 563 598 58 GLU HG2 H 2.294 0.020 1 564 598 58 GLU HG3 H 2.294 0.020 1 565 598 58 GLU CA C 53.530 0.400 1 566 598 58 GLU CB C 28.393 0.400 1 567 598 58 GLU CG C 33.602 0.400 1 568 598 58 GLU N N 115.966 0.400 1 569 599 59 SER H H 7.264 0.020 1 570 599 59 SER HA H 4.991 0.020 1 571 599 59 SER HB2 H 3.367 0.020 2 572 599 59 SER HB3 H 3.485 0.020 2 573 599 59 SER CA C 51.224 0.400 1 574 599 59 SER CB C 60.285 0.400 1 575 599 59 SER N N 113.934 0.400 1 576 600 60 PRO HA H 4.309 0.020 1 577 600 60 PRO HB2 H 1.929 0.020 2 578 600 60 PRO HB3 H 2.394 0.020 2 579 600 60 PRO HG2 H 1.975 0.020 2 580 600 60 PRO HG3 H 2.094 0.020 2 581 600 60 PRO HD2 H 3.666 0.020 2 582 600 60 PRO HD3 H 3.894 0.020 2 583 600 60 PRO CA C 62.864 0.400 1 584 600 60 PRO CB C 29.738 0.400 1 585 600 60 PRO CD C 48.064 0.400 1 586 601 61 GLU H H 8.981 0.020 1 587 601 61 GLU HA H 4.067 0.020 1 588 601 61 GLU HB2 H 1.976 0.020 1 589 601 61 GLU HB3 H 1.976 0.020 1 590 601 61 GLU HG2 H 2.306 0.020 1 591 601 61 GLU HG3 H 2.306 0.020 1 592 601 61 GLU CA C 57.450 0.400 1 593 601 61 GLU CB C 26.410 0.400 1 594 601 61 GLU CG C 34.016 0.400 1 595 601 61 GLU N N 117.588 0.400 1 596 602 62 SER H H 7.758 0.020 1 597 602 62 SER HA H 4.326 0.020 1 598 602 62 SER HB2 H 3.926 0.020 1 599 602 62 SER HB3 H 3.926 0.020 1 600 602 62 SER CA C 58.994 0.400 1 601 602 62 SER CB C 60.558 0.400 1 602 602 62 SER N N 117.065 0.400 1 603 603 63 LEU H H 7.853 0.020 1 604 603 63 LEU HA H 4.066 0.020 1 605 603 63 LEU HB2 H 1.707 0.020 2 606 603 63 LEU HB3 H 1.889 0.020 2 607 603 63 LEU HG H 1.322 0.020 1 608 603 63 LEU HD1 H 0.695 0.020 2 609 603 63 LEU HD2 H 0.784 0.020 2 610 603 63 LEU CA C 56.122 0.400 1 611 603 63 LEU CB C 38.257 0.400 1 612 603 63 LEU CG C 23.583 0.400 1 613 603 63 LEU CD1 C 21.966 0.400 1 614 603 63 LEU CD2 C 24.364 0.400 1 615 603 63 LEU N N 121.598 0.400 1 616 604 64 ARG H H 8.342 0.020 1 617 604 64 ARG HA H 3.721 0.020 1 618 604 64 ARG HB2 H 1.929 0.020 1 619 604 64 ARG HB3 H 1.929 0.020 1 620 604 64 ARG HG2 H 1.699 0.020 1 621 604 64 ARG HG3 H 1.699 0.020 1 622 604 64 ARG HD2 H 3.244 0.020 1 623 604 64 ARG HD3 H 3.244 0.020 1 624 604 64 ARG CA C 57.174 0.400 1 625 604 64 ARG CB C 27.146 0.400 1 626 604 64 ARG CG C 24.299 0.400 1 627 604 64 ARG CD C 40.512 0.400 1 628 604 64 ARG N N 117.584 0.400 1 629 605 65 SER H H 7.678 0.020 1 630 605 65 SER HA H 4.288 0.020 1 631 605 65 SER HB2 H 4.022 0.020 1 632 605 65 SER HB3 H 4.022 0.020 1 633 605 65 SER CA C 59.242 0.400 1 634 605 65 SER CB C 60.457 0.400 1 635 605 65 SER N N 111.637 0.400 1 636 606 66 LYS H H 7.307 0.020 1 637 606 66 LYS HA H 4.291 0.020 1 638 606 66 LYS HB2 H 1.537 0.020 2 639 606 66 LYS HB3 H 2.119 0.020 2 640 606 66 LYS HG2 H 1.364 0.020 2 641 606 66 LYS HG3 H 1.484 0.020 2 642 606 66 LYS HD2 H 1.661 0.020 1 643 606 66 LYS HD3 H 1.661 0.020 1 644 606 66 LYS HE2 H 2.798 0.020 2 645 606 66 LYS HE3 H 2.864 0.020 2 646 606 66 LYS CA C 55.682 0.400 1 647 606 66 LYS CB C 30.059 0.400 1 648 606 66 LYS CG C 22.359 0.400 1 649 606 66 LYS CD C 25.827 0.400 1 650 606 66 LYS CE C 39.929 0.400 1 651 606 66 LYS N N 120.370 0.400 1 652 607 67 VAL H H 8.530 0.020 1 653 607 67 VAL HA H 3.429 0.020 1 654 607 67 VAL HB H 2.274 0.020 1 655 607 67 VAL HG1 H 1.112 0.020 2 656 607 67 VAL HG2 H 0.980 0.020 2 657 607 67 VAL CA C 64.961 0.400 1 658 607 67 VAL CB C 29.229 0.400 1 659 607 67 VAL CG1 C 19.716 0.400 1 660 607 67 VAL CG2 C 22.203 0.400 1 661 607 67 VAL N N 120.957 0.400 1 662 608 68 ASP H H 8.681 0.020 1 663 608 68 ASP HA H 4.340 0.020 1 664 608 68 ASP HB2 H 2.621 0.020 2 665 608 68 ASP HB3 H 2.858 0.020 2 666 608 68 ASP CA C 55.221 0.400 1 667 608 68 ASP CB C 37.197 0.400 1 668 608 68 ASP N N 119.314 0.400 1 669 609 69 GLU H H 7.647 0.020 1 670 609 69 GLU HA H 4.092 0.020 1 671 609 69 GLU HB2 H 2.102 0.020 2 672 609 69 GLU HB3 H 2.353 0.020 2 673 609 69 GLU HG2 H 2.546 0.020 1 674 609 69 GLU HG3 H 2.546 0.020 1 675 609 69 GLU CA C 57.211 0.400 1 676 609 69 GLU CB C 27.613 0.400 1 677 609 69 GLU CG C 33.978 0.400 1 678 609 69 GLU N N 120.498 0.400 1 679 610 70 ALA H H 8.157 0.020 1 680 610 70 ALA HA H 3.850 0.020 1 681 610 70 ALA HB H 1.616 0.020 1 682 610 70 ALA CA C 53.226 0.400 1 683 610 70 ALA CB C 15.829 0.400 1 684 610 70 ALA N N 121.960 0.400 1 685 611 71 VAL H H 8.842 0.020 1 686 611 71 VAL HA H 3.279 0.020 1 687 611 71 VAL HB H 1.953 0.020 1 688 611 71 VAL HG1 H 0.679 0.020 2 689 611 71 VAL HG2 H 0.497 0.020 2 690 611 71 VAL CA C 64.518 0.400 1 691 611 71 VAL CB C 29.069 0.400 1 692 611 71 VAL CG1 C 18.485 0.400 1 693 611 71 VAL CG2 C 21.379 0.400 1 694 611 71 VAL N N 117.918 0.400 1 695 612 72 ALA H H 7.753 0.020 1 696 612 72 ALA HA H 4.105 0.020 1 697 612 72 ALA HB H 1.483 0.020 1 698 612 72 ALA CA C 52.834 0.400 1 699 612 72 ALA CB C 15.400 0.400 1 700 612 72 ALA N N 121.380 0.400 1 701 613 73 VAL H H 7.524 0.020 1 702 613 73 VAL HA H 3.804 0.020 1 703 613 73 VAL HB H 1.975 0.020 1 704 613 73 VAL HG1 H 0.835 0.020 2 705 613 73 VAL HG2 H 1.014 0.020 2 706 613 73 VAL CA C 63.485 0.400 1 707 613 73 VAL CB C 29.266 0.400 1 708 613 73 VAL CG1 C 18.846 0.400 1 709 613 73 VAL CG2 C 20.386 0.400 1 710 613 73 VAL N N 117.888 0.400 1 711 614 74 LEU H H 8.198 0.020 1 712 614 74 LEU HA H 4.001 0.020 1 713 614 74 LEU HB2 H 1.620 0.020 2 714 614 74 LEU HB3 H 1.679 0.020 2 715 614 74 LEU HG H 1.484 0.020 1 716 614 74 LEU HD1 H 0.862 0.020 2 717 614 74 LEU HD2 H 0.850 0.020 2 718 614 74 LEU CA C 55.722 0.400 1 719 614 74 LEU CB C 39.770 0.400 1 720 614 74 LEU CG C 24.457 0.400 1 721 614 74 LEU CD1 C 22.261 0.400 1 722 614 74 LEU CD2 C 22.113 0.400 1 723 614 74 LEU N N 122.279 0.400 1 724 615 75 GLN H H 8.702 0.020 1 725 615 75 GLN HA H 4.058 0.020 1 726 615 75 GLN HB2 H 2.076 0.020 1 727 615 75 GLN HB3 H 2.076 0.020 1 728 615 75 GLN HG2 H 2.303 0.020 2 729 615 75 GLN HG3 H 2.504 0.020 2 730 615 75 GLN HE21 H 7.210 0.020 2 731 615 75 GLN HE22 H 6.731 0.020 2 732 615 75 GLN CA C 56.182 0.400 1 733 615 75 GLN CB C 25.677 0.400 1 734 615 75 GLN CG C 32.237 0.400 1 735 615 75 GLN N N 117.674 0.400 1 736 615 75 GLN NE2 N 110.552 0.400 1 737 616 76 ALA H H 7.662 0.020 1 738 616 76 ALA HA H 4.187 0.020 1 739 616 76 ALA HB H 1.466 0.020 1 740 616 76 ALA CA C 51.995 0.400 1 741 616 76 ALA CB C 15.771 0.400 1 742 616 76 ALA N N 121.678 0.400 1 743 617 77 HIS H H 7.872 0.020 1 744 617 77 HIS HA H 4.371 0.020 1 745 617 77 HIS HB2 H 3.081 0.020 2 746 617 77 HIS HB3 H 3.266 0.020 2 747 617 77 HIS HE1 H 7.171 0.020 1 748 617 77 HIS CA C 56.337 0.400 1 749 617 77 HIS CB C 28.543 0.400 1 750 617 77 HIS N N 118.191 0.400 1 751 618 78 GLN H H 8.076 0.020 1 752 618 78 GLN HA H 4.047 0.020 1 753 618 78 GLN HB2 H 2.058 0.020 1 754 618 78 GLN HB3 H 2.058 0.020 1 755 618 78 GLN HG2 H 2.499 0.020 1 756 618 78 GLN HG3 H 2.499 0.020 1 757 618 78 GLN CA C 54.793 0.400 1 758 618 78 GLN CB C 26.314 0.400 1 759 618 78 GLN CG C 31.714 0.400 1 760 618 78 GLN N N 118.799 0.400 1 761 619 79 ALA H H 7.834 0.020 1 762 619 79 ALA HA H 4.205 0.020 1 763 619 79 ALA HB H 1.415 0.020 1 764 619 79 ALA CA C 50.713 0.400 1 765 619 79 ALA CB C 16.278 0.400 1 766 619 79 ALA N N 122.208 0.400 1 767 620 80 LYS H H 7.749 0.020 1 768 620 80 LYS HA H 4.194 0.020 1 769 620 80 LYS HB2 H 1.781 0.020 2 770 620 80 LYS HB3 H 1.834 0.020 2 771 620 80 LYS HG2 H 1.440 0.020 2 772 620 80 LYS HG3 H 1.475 0.020 2 773 620 80 LYS HD2 H 1.658 0.020 1 774 620 80 LYS HD3 H 1.658 0.020 1 775 620 80 LYS HE2 H 2.966 0.020 1 776 620 80 LYS HE3 H 2.966 0.020 1 777 620 80 LYS CA C 54.364 0.400 1 778 620 80 LYS CB C 30.232 0.400 1 779 620 80 LYS N N 119.067 0.400 1 780 621 81 GLU H H 8.058 0.020 1 781 621 81 GLU HA H 4.180 0.020 1 782 621 81 GLU HB2 H 1.855 0.020 2 783 621 81 GLU HB3 H 2.012 0.020 2 784 621 81 GLU HG2 H 2.153 0.020 1 785 621 81 GLU HG3 H 2.153 0.020 1 786 621 81 GLU CA C 54.273 0.400 1 787 621 81 GLU CB C 27.722 0.400 1 788 621 81 GLU CG C 34.040 0.400 1 789 621 81 GLU N N 120.650 0.400 1 790 622 82 ALA H H 7.981 0.020 1 791 622 82 ALA HA H 4.289 0.020 1 792 622 82 ALA HB H 1.361 0.020 1 793 622 82 ALA CA C 49.927 0.400 1 794 622 82 ALA CB C 16.895 0.400 1 795 622 82 ALA N N 124.635 0.400 1 796 623 83 ALA H H 7.742 0.020 1 797 623 83 ALA HA H 4.081 0.020 1 798 623 83 ALA HB H 1.316 0.020 1 799 623 83 ALA CA C 51.466 0.400 1 800 623 83 ALA CB C 17.672 0.400 1 801 623 83 ALA N N 129.100 0.400 1 stop_ save_